1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene

C18H20S3 — CID 150677961

IUPAC1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene
SMILESCCSSCCSCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H20S3/c1-2-20-21-11-10-19-13-15-7-5-9-17-16-8-4-3-6-14(16)12-18(15)17/h3-9H,2,10-13H2,1H3
InChIKeyJHGYRQIVJBDFNP-UHFFFAOYSA-N
MW332.56 g/mol
LogP5.89
Rot. Bonds7

About 1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene

1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene (PubChem CID 150677961) has the molecular formula C18H20S3 and a molecular weight of 332.56 g/mol. Its IUPAC name is 1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene.

Molecular Properties

Compound Name1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene
PubChem CID150677961
Molecular FormulaC18H20S3
Molecular Weight332.56 g/mol
Exact Mass332.07
IUPAC Name1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene
SMILESCCSSCCSCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H20S3/c1-2-20-21-11-10-19-13-15-7-5-9-17-16-8-4-3-6-14(16)12-18(15)17/h3-9H,2,10-13H2,1H3
InChIKeyJHGYRQIVJBDFNP-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-ethyl-9H-fluorene;propane
CID 167686584
S-ethyl 2-(9H-fluoren-1-yl)ethanethioate
CID 172829129
bis(1-ethyl-9H-fluorene);pyridine
CID 158763322
1-(2-methylpropyl)-9H-fluorene
CID 87557268
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(2,2,2-triphenylethyl)-9H-fluorene
CID 151369525
N-ethyl-9H-fluoren-1-amine
CID 67613408
1-(propan-2-yloxymethyl)-9H-fluorene
CID 58283334
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride
CID 141106143
2-(9H-fluoren-1-yl)acetamide
CID 22939017
2-(9H-fluoren-1-yl)-4-propylphenol
CID 151190186

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene?
The IUPAC name of 1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene (CID 150677961) is 1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene.
What is the SMILES notation for 1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene?
The canonical SMILES for 1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene is CCSSCCSCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene?
The InChIKey is JHGYRQIVJBDFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20S3/c1-2-20-21-11-10-19-13-15-7-5-9-17-16-8-4-3-6-14(16)12-18(15)17/h3-9H,2,10-13H2,1H3.
What are the key properties of 1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene?
1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene has a molecular weight of 332.56 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene is sourced from PubChem (CID 150677961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).